Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127464'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127464 (4-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COC(=O)CC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C23H29N3O9S/c1-32-17-10-15(11-18(12-17)33-2)14-35-16-4-6-21-19(13-16)24-8-9-26(36(21,30)31)20(23(28)25-29)5-7-22(27)34-3/h4,6,10-13,20,24,29H,5,7-9,14H2,1-3H3,(H,25,28)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
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